S-[2-[2-cyclohexylethyl(4-pyridin-4-ylbutylcarbamoyl)amino]ethyl] ethanethioate

Systemtic Name: S-[2-[2-cyclohexylethyl(4-pyridin-4-ylbutylcarbamoyl)amino]ethyl] ethanethioate Openeye Name: S-[2-[2-cyclohexylethyl-[4-(4-pyridyl)butylcarbamoyl]amino]ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[oxo-(4-pyridin-4-ylbutylamino)methyl]amino]ethyl] ester IUPAC Name: S-[2-[2-cyclohexylethyl(4-pyridin-4-ylbutylcarbamoyl)amino]ethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[2-cyclohexylethyl-[4-(4-pyridyl)butylcarbamoyl]amino]ethyl] ester Formula: C22H35N3O2S MolecularWeight: 405.5972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCCCC2=CC=NC=C2

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NCCCCC2=CC=NC=C2

InChI

InChI=1S/C22H35N3O2S/c1-19(26)28-18-17-25(16-12-20-7-3-2-4-8-20)22(27)24-13-6-5-9-21-10-14-23-15-11-21/h10-11,14-15,20H,2-9,12-13,16-18H2,1H3,(H,24,27)